4a,8a-dihydroisoquinolin-1-amine

C9H10N2 — CID 143095299

IUPAC4a,8a-dihydroisoquinolin-1-amine
SMILESNC1=NC=CC2C=CC=CC12
InChIInChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-8H,(H2,10,11)
InChIKeySYLCZBFSKDQRBP-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.23
Rot. Bonds

About 4a,8a-dihydroisoquinolin-1-amine

4a,8a-dihydroisoquinolin-1-amine (PubChem CID 143095299) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4a,8a-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name4a,8a-dihydroisoquinolin-1-amine
PubChem CID143095299
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4a,8a-dihydroisoquinolin-1-amine
SMILESNC1=NC=CC2C=CC=CC12
InChIInChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-8H,(H2,10,11)
InChIKeySYLCZBFSKDQRBP-UHFFFAOYSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4a,8a-Dihydroisoquinoline-1,6-diamine
CID 68403427
8,8a-Dihydroisoquinolin-1-amine
CID 89025217
4-Cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine
CID 89344256
6,7-Dihydroisoquinolin-1-amine
CID 90254144
N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine
CID 90291882
3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine
CID 118946201
(Z)-N'-ethenyl-3-methylhept-4-enimidamide
CID 139541814
3-prop-2-enyl-3H-azepin-2-amine
CID 141023882
7-Methyl-6,7-dihydroisoquinolin-1-amine
CID 142083391
N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen
CID 143457481
N'-[(Z)-2-aminoprop-1-enyl]cyclohexa-2,4-diene-1-carboximidamide
CID 144426369
4a,5-Dihydro-1,8-naphthyridin-3-amine
CID 146227147

Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydroisoquinolin-1-amine?
The IUPAC name of 4a,8a-dihydroisoquinolin-1-amine (CID 143095299) is 4a,8a-dihydroisoquinolin-1-amine.
What is the SMILES notation for 4a,8a-dihydroisoquinolin-1-amine?
The canonical SMILES for 4a,8a-dihydroisoquinolin-1-amine is NC1=NC=CC2C=CC=CC12.
What is the InChIKey of 4a,8a-dihydroisoquinolin-1-amine?
The InChIKey is SYLCZBFSKDQRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-8H,(H2,10,11).
What are the key properties of 4a,8a-dihydroisoquinolin-1-amine?
4a,8a-dihydroisoquinolin-1-amine has a molecular weight of 146.19 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydroisoquinolin-1-amine is sourced from PubChem (CID 143095299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).